| SpectraBase Compound ID | Ftupx3jt5hl |
|---|---|
| InChI | InChI=1S/C21H20O6/c22-14-16-6-10-18(11-7-16)26-20(24)4-2-1-3-5-21(25)27-19-12-8-17(15-23)9-13-19/h6-15H,1-5H2 |
| InChIKey | DQAMRWBFIWELFN-UHFFFAOYSA-N |
| Mol Weight | 368.39 g/mol |
| Molecular Formula | C21H20O6 |
| Exact Mass | 368.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtIVDgOcQr8 |
|---|---|
| Name | Pimelic acid, di(4-formylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.125988358 u |
| Formula | C21H20O6 |
| InChI | InChI=1S/C21H20O6/c22-14-16-6-10-18(11-7-16)26-20(24)4-2-1-3-5-21(25)27-19-12-8-17(15-23)9-13-19/h6-15H,1-5H2 |
| InChIKey | DQAMRWBFIWELFN-UHFFFAOYSA-N |
| Molecular Weight | 368.385 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C=O)(=O)CCCCCC(OC1=CC=C(C=O)C=C1)=O |